SCHEMBL493557

SCHEMBL493557

COc1cc(C)c(S(=O)(=O)N2CCC(OCC(=O)NC3CCC(C(c4cccs4)N(C)C)CC3)C2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
PKM P14618 3/20 0.41
BDKRB1 P46663 2/20 0.39
ATM Q13315 1/20 0.35
GAA P10253 2/20 0.35
MAPT P10636 1/20 0.34
POLB P06746 2/20 0.34
EPHX2 P34913 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
LMNA P02545 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL492404 0.94 EPHX2 (0.40) ALDH1A1PKMATMGAAPOLB
SCHEMBL492672 0.91 EPHX2 (0.39) ALDH1A1PKMBDKRB1ATMGAA
SCHEMBL493143 0.90 ALDH1A1 (0.42) ALDH1A1PKMBDKRB1GAAMAPT
SCHEMBL492307 0.90 ALDH1A1 (0.41) ALDH1A1PKMBDKRB1GAAMAPT
SCHEMBL493328 0.88 BDKRB1 (0.41) ALDH1A1PKMBDKRB1GAAEPHX2
SCHEMBL492701 0.87 EPHX2 (0.36) ALDH1A1PKMGAAPOLBEPHX2
SCHEMBL493083 0.86 EPHX2 (0.41) ALDH1A1PKMGAAMAPTPOLB
SCHEMBL493115 0.86 ALDH1A1 (0.43) ALDH1A1PKMGAAEPHX2LMNA
SCHEMBL492783 0.86 ALDH1A1 (0.43) ALDH1A1PKMATMMAPTPOLB
SCHEMBL493153 0.86 EPHX2 (0.43) ALDH1A1PKMGAAPOLBEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
US-8106055-B2 Substituted amide compounds GRUENENTHAL GMBH (DE) 2012-01-31 US disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
US-20080306084-A1 Substituted Amide Compounds GRUENENTHAL GMBH (DE) 2008-12-11 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080306084-A1 Substituted Amide Compounds OPRK1, NAA50, ACMSD ALDH1A1 1349/4885PKM 1161/4885BDKRB1 1622/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.